CID 121046

Brn 0864293

Structural Information

Molecular Formula
C28H31N3O
SMILES
COC1=CC2=C(C=C1)N(C=C2CCN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C28H31N3O/c1-32-26-12-13-28-27(20-26)24(22-31(28)21-23-8-4-2-5-9-23)14-15-29-16-18-30(19-17-29)25-10-6-3-7-11-25/h2-13,20,22H,14-19,21H2,1H3
InChIKey
AEYUVJYIUPQQMJ-UHFFFAOYSA-N
Compound name
1-benzyl-5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.2467 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.25398 209.5
[M+Na]+ 448.23592 226.8
[M+NH4]+ 443.28052 217.8
[M+K]+ 464.20986 217.1
[M-H]- 424.23942 217.9
[M+Na-2H]- 446.22137 220.2
[M]+ 425.24615 214.7
[M]- 425.24725 214.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.